1-(3-phenylpropylamino)azetidine-3-carboxylic acid

C13H18N2O2 — CID 142773775

IUPAC1-(3-phenylpropylamino)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(NCCCc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c16-13(17)12-9-15(10-12)14-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,16,17)
InChIKeyOXBNHCNRVCIOQD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.14
Rot. Bonds6

About 1-(3-phenylpropylamino)azetidine-3-carboxylic acid

1-(3-phenylpropylamino)azetidine-3-carboxylic acid (PubChem CID 142773775) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-phenylpropylamino)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenylpropylamino)azetidine-3-carboxylic acid
PubChem CID142773775
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(3-phenylpropylamino)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(NCCCc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c16-13(17)12-9-15(10-12)14-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,16,17)
InChIKeyOXBNHCNRVCIOQD-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
(2R,4R)-4-hydroxy-1-(3-phenylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 79000393
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113044080
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
CID 60672286
1-[2-(3-phenylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193957

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropylamino)azetidine-3-carboxylic acid?
The IUPAC name of 1-(3-phenylpropylamino)azetidine-3-carboxylic acid (CID 142773775) is 1-(3-phenylpropylamino)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-phenylpropylamino)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(3-phenylpropylamino)azetidine-3-carboxylic acid is O=C(O)C1CN(NCCCc2ccccc2)C1.
What is the InChIKey of 1-(3-phenylpropylamino)azetidine-3-carboxylic acid?
The InChIKey is OXBNHCNRVCIOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(17)12-9-15(10-12)14-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,16,17).
What are the key properties of 1-(3-phenylpropylamino)azetidine-3-carboxylic acid?
1-(3-phenylpropylamino)azetidine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropylamino)azetidine-3-carboxylic acid is sourced from PubChem (CID 142773775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).